| SpectraBase Compound ID | B6aGk9DJuUx |
|---|---|
| InChI | InChI=1S/C53H71N4O3.Zn/c1-12-39-35(8)43-28-45-37(10)41(23-24-50(59)60-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(56-45)42-27-49(58)51-38(11)46(57-53(42)51)30-48-40(13-2)36(9)44(55-48)29-47(39)54-43;/h12,25,28-33,37,41H,1,13-24,26-27H2,2-11H3,(H-,54,55,56,57,58);/q-1;+2/p-1/b34-25+;/t32-,33-,37-,41-;/m0./s1 |
| InChIKey | YJDYFEMOFMAMJF-YRUCAACISA-M |
| Mol Weight | 876.5 g/mol |
| Molecular Formula | C53H70N4O3Zn |
| Exact Mass | 874.473934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5mJgUIYsm51 |
|---|---|
| Name | ZN(II)-13^2-DEMETHOXYCARBONYL-PHEOPHYTIN-A |
| Compound Number | ZNP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H70N4O3Zn |
| InChI | InChI=1S/C53H71N4O3.Zn/c1-12-39-35(8)43-28-45-37(10)41(23-24-50(59)60-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(56-45)42-27-49(58)51-38(11)46(57-53(42)51)30-48-40(13-2)36(9)44(55-48)29-47(39)54-43;/h12,25,28-33,37,41H,1,13-24,26-27H2,2-11H3,(H-,54,55,56,57,58);/q-1;+2/p-1/b34-25+;/t32-,33-,37-,41-;/m0./s1 |
| InChIKey | YJDYFEMOFMAMJF-YRUCAACISA-M |
| Literature Reference Author | J.HELAJA,A.Y.TAUBER,I.KILPELAEINEN,P.H.HYNNINEN |
| Literature Reference Citation | MAGN.RES.CHEM.,35,619(1997) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199709)35:9<619::aid-omr143>3.3.co;2-i |
| Molecular Weight | 876.544 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP4180 |